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1AJX
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BU of 1ajx by Molmil
HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC UREA INHIBITOR AHA001
Descriptor: AHA001, HIV-1 PROTEASE
Authors:Backbro, K, Unge, T.
Deposit date:1997-05-11
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor.
J.Med.Chem., 40, 1997
2O42
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BU of 2o42 by Molmil
Crystal Structure of M11L, Bcl-2 homolog from myxoma virus
Descriptor: M11L protein
Authors:Douglas, A.E.
Deposit date:2006-12-02
Release date:2007-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structure of M11L: A myxoma virus structural homolog of the apoptosis inhibitor, Bcl-2.
Protein Sci., 16, 2007
1ADW
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BU of 1adw by Molmil
PSEUDOAZURIN
Descriptor: COPPER (II) ION, PSEUDOAZURIN
Authors:Williams, P.A.
Deposit date:1997-02-18
Release date:1997-05-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pseudospecific docking surfaces on electron transfer proteins as illustrated by pseudoazurin, cytochrome c550 and cytochrome cd1 nitrite reductase.
Nat.Struct.Biol., 2, 1995
2OK7
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BU of 2ok7 by Molmil
Ferredoxin-NADP+ reductase from Plasmodium falciparum with 2'P-AMP
Descriptor: ADENOSINE-2'-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Putative ferredoxin--NADP reductase, ...
Authors:Milani, M, Mastrangelo, E, Bolognesi, M.
Deposit date:2007-01-16
Release date:2007-02-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ferredoxin-NADP(+) Reductase from Plasmodium falciparum Undergoes NADP(+)-dependent Dimerization and Inactivation: Functional and Crystallographic Analysis.
J.Mol.Biol., 367, 2007
2OK8
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BU of 2ok8 by Molmil
Ferredoxin-NADP+ reductase from Plasmodium falciparum
Descriptor: CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Putative ferredoxin--NADP reductase
Authors:Milani, M, Mastrangelo, E, Bolognesi, M.
Deposit date:2007-01-16
Release date:2007-02-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ferredoxin-NADP(+) Reductase from Plasmodium falciparum Undergoes NADP(+)-dependent Dimerization and Inactivation: Functional and Crystallographic Analysis.
J.Mol.Biol., 367, 2007
7CBD
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BU of 7cbd by Molmil
Catalytic domain of Cellulomonas fimi Cel6B
Descriptor: Exoglucanase A
Authors:Nakamura, A, Ishiwata, D, Visootsat, A, Uchiyama, T, Mizutani, K, Kaneko, S, Murata, T, Igarashi, K, Iino, R.
Deposit date:2020-06-12
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Domain architecture divergence leads to functional divergence in binding and catalytic domains of bacterial and fungal cellobiohydrolases.
J.Biol.Chem., 295, 2020
2PMP
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BU of 2pmp by Molmil
Structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from the isoprenoid biosynthetic pathway of Arabidopsis thaliana
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Calisto, B.M, Perez-Gil, J, Querol-Audi, J, Fita, I, Imperial, S.
Deposit date:2007-04-23
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biosynthesis of isoprenoids in plants: Structure of the 2C-methyl-D-erithrytol 2,4-cyclodiphosphate synthase from Arabidopsis thaliana. Comparison with the bacterial enzymes.
Protein Sci., 16, 2007
2PUW
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BU of 2puw by Molmil
The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from Candida albicans
Descriptor: 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, isomerase domain of glutamine-fructose-6-phosphate transaminase (isomerizing)
Authors:Raczynska, J, Olchowy, J, Milewski, S, Rypniewski, W.
Deposit date:2007-05-09
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.151 Å)
Cite:The Crystal and Solution Studies of Glucosamine-6-phosphate Synthase from Candida albicans
J.Mol.Biol., 372, 2007
1CPI
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BU of 1cpi by Molmil
REGIOSELECTIVE STRUCTURAL AND FUNCTIONAL MIMICRY OF PEPTIDES. DESIGN OF HYDROLYTICALLY STABLE CYCLIC PEPTIDOMIMETIC INHIBITORS OF HIV-1 PROTEASE
Descriptor: CYCLIC PEPTIDE INHIBITOR, HIV-1 PROTEASE, SULFATE ION
Authors:Martin, J.L.
Deposit date:1995-10-16
Release date:1996-03-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:REGIOSELECTIVE STRUCTURAL AND FUNCTIONAL MIMICRY OF PEPTIDES - DESIGN OF HYDROLYTICALLY-STABLE CYCLIC PEPTIDOMIMETIC INHIBITORS OF HIV-1 PROTEASE.
J.Am.Chem.Soc., 117, 1995
2OOA
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BU of 2ooa by Molmil
crystal structure of the UBA domain from Cbl-b ubiquitin ligase
Descriptor: E3 ubiquitin-protein ligase CBL-B
Authors:Kozlov, G, Gehring, K.
Deposit date:2007-01-25
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural basis for ubiquitin-mediated dimerization and activation of the ubiquitin protein ligase Cbl-b.
Mol.Cell, 27, 2007
6K4F
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BU of 6k4f by Molmil
SiaC of Pseudomonas aeruginosa
Descriptor: DUF1987 domain-containing protein
Authors:Lin, J.Q, Lescar, J.
Deposit date:2019-05-23
Release date:2019-06-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.735 Å)
Cite:The SiaABC threonine phosphorylation pathway controls biofilm formation in response to carbon availability in Pseudomonas aeruginosa.
Plos One, 15, 2020
2OJF
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BU of 2ojf by Molmil
Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine based inhibitors
Descriptor: (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, Inhibitory peptide, cAMP-dependent protein kinase, ...
Authors:Stoll, V.S.
Deposit date:2007-01-12
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
2OBE
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BU of 2obe by Molmil
Crystal Structure of Chimpanzee Adenovirus (Type 68/Simian 25) Major Coat Protein Hexon
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DIHYDROGENPHOSPHATE ION, Hexon protein
Authors:Xue, F, Rux, J.J, Burnett, R.M.
Deposit date:2006-12-18
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based identification of a major neutralizing site in an adenovirus hexon
J.Virol., 81, 2007
2OKJ
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BU of 2okj by Molmil
The X-ray crystal structure of the 67kDa isoform of Glutamic Acid Decarboxylase (GAD67)
Descriptor: 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID, GAMMA-AMINO-BUTANOIC ACID, Glutamate decarboxylase 1
Authors:Buckle, A.M, Fenalti, G, Law, R.H.P, Whisstock, J.C.
Deposit date:2007-01-17
Release date:2007-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop.
Nat.Struct.Mol.Biol., 14, 2007
7AVI
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BU of 7avi by Molmil
Crystal structure of SOS1 in complex with compound 2
Descriptor: 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide, Son of sevenless homolog 1
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-11-05
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
7AVS
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BU of 7avs by Molmil
Crystal structure of SOS1 in complex with compound 6
Descriptor: 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-11-06
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
7AVT
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BU of 7avt by Molmil
Crystal structure of SOS1 in complex with compound 7
Descriptor: IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-11-06
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
7AVV
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BU of 7avv by Molmil
Crystal structure of SOS1 in complex with compound 9
Descriptor: IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-11-06
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
7AVU
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BU of 7avu by Molmil
Crystal structure of SOS1 in complex with compound 8
Descriptor: IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-11-06
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
7AVL
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BU of 7avl by Molmil
Crystal structure of SOS1 in complex with compound 4
Descriptor: 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-11-05
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.718 Å)
Cite:One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
2PUQ
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BU of 2puq by Molmil
Crystal structure of active site inhibited coagulation factor VIIA in complex with soluble tissue factor
Descriptor: CALCIUM ION, Coagulation factor VII, TRP-TYR-THR-ARG CHLOROMETHYLKETONE INHIBITOR, ...
Authors:Bjelke, J.R, Rasmussen, H.B.
Deposit date:2007-05-09
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Engineering the substrate and inhibitor specificities of human coagulation Factor VIIa
Biochem.J., 405, 2007
7A0O
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BU of 7a0o by Molmil
NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 5.5
Descriptor: Flagelliform spidroin variant 1
Authors:Sarr, M, Kitoka, K, Walsh-White, K.-A, Kaldmae, M, Landreh, M, Rising, A, Johansson, J, Jaudzems, K, Kronqvist, N.
Deposit date:2020-08-10
Release date:2021-08-18
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence.
J.Biol.Chem., 298, 2022
6WXN
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BU of 6wxn by Molmil
EGFR(T790M/V948R) in complex with LN3844
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2020-05-11
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.
J.Med.Chem., 65, 2022
7A0I
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BU of 7a0i by Molmil
NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 7.2
Descriptor: Flagelliform spidroin variant 1
Authors:Sarr, M, Kitoka, K, Walsh-White, K.-A, Kaldmae, M, Landreh, M, Rising, A, Johansson, J, Jaudzems, K, Kronqvist, N.
Deposit date:2020-08-09
Release date:2021-08-18
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence.
J.Biol.Chem., 298, 2022
1AIZ
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BU of 1aiz by Molmil
STRUCTURE OF APO-AZURIN FROM ALCALIGENES DENITRIFICANS AT 1.8 ANGSTROMS RESOLUTION
Descriptor: AZURIN, CADMIUM ION, SULFATE ION
Authors:Baker, E.N, Anderson, B.F, Blackwell, K.A.
Deposit date:1993-11-11
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of apo-azurin from Alcaligenes denitrificans at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993

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